N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine

C15H20ClN3OS — CID 62291414

IUPACN-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ncsc1CCOc1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C15H20ClN3OS/c1-10(2)17-7-12-6-13(16)15(18-8-12)20-5-4-14-11(3)19-9-21-14/h6,8-10,17H,4-5,7H2,1-3H3
InChIKeyWWXTYJBYULDLLF-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.62
Rot. Bonds7

About N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62291414) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
PubChem CID62291414
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ncsc1CCOc1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C15H20ClN3OS/c1-10(2)17-7-12-6-13(16)15(18-8-12)20-5-4-14-11(3)19-9-21-14/h6,8-10,17H,4-5,7H2,1-3H3
InChIKeyWWXTYJBYULDLLF-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine
CID 62291236
N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 107381427
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 82005702
N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623922
N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291329
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298
5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 66321851
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 64854100
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
CID 107285773
5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
CID 80972829

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine (CID 62291414) is N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine is Cc1ncsc1CCOc1ncc(CNC(C)C)cc1Cl.
What is the InChIKey of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is WWXTYJBYULDLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-10(2)17-7-12-6-13(16)15(18-8-12)20-5-4-14-11(3)19-9-21-14/h6,8-10,17H,4-5,7H2,1-3H3.
What are the key properties of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 325.87 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62291414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).